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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N4O7S2
Molecular Weight 438.4378
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-SULFOPHENYL)-3-METHYL-4-(4-SULFOPHENYLAZO)-5-PYRAZOLONE

SMILES

CC1=NN(C(O)=C1\N=N\C2=CC=C(C=C2)S(O)(=O)=O)C3=CC=C(C=C3)S(O)(=O)=O

InChI

InChIKey=OOPLZPYQDINIKN-ISLYRVAYSA-N
InChI=1S/C16H14N4O7S2/c1-10-15(18-17-11-2-6-13(7-3-11)28(22,23)24)16(21)20(19-10)12-4-8-14(9-5-12)29(25,26)27/h2-9,21H,1H3,(H,22,23,24)(H,25,26,27)/b18-17+

HIDE SMILES / InChI

Molecular Formula C16H14N4O7S2
Molecular Weight 438.4378
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:02:15 GMT 2025
Edited
by admin
on Mon Mar 31 23:02:15 GMT 2025
Record UNII
LW23GH7B23
Record Status FAILED
Record Version
  • Download
Name Type Language
1-(4-SULFOPHENYL)-3-METHYL-4-(4-SULFOPHENYLAZO)-5-PYRAZOLONE
Systematic Name English
3-P-OCTADECYLOXYPHENYL-6-P-TOLYL-2,5-DIHYDRO-PYRROLO(3,4-C)PYRROLE-1,4-DIONE
Preferred Name English
4,4'-(AZO(3-METHYL-5-OXO-2-PYRAZOLINE-4,1-DIYL)DIBENZENESULFONIC
Common Name English
BENZENESULFONIC ACID, 4,4'-(AZO(3-METHYL-5-OXO-2-PYRAZOLINE-4,1-DIYL))DI-
Common Name English
BENZENESULFONIC ACID, 4-(4,5-DIHYDRO-3-METHYL-5-OXO-4-((4-SULFOPHENYL)AZO)-1H-PYRAZOL-1-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
LW23GH7B23
Created by admin on Mon Mar 31 23:02:15 GMT 2025 , Edited by admin on Mon Mar 31 23:02:15 GMT 2025
PRIMARY
CAS
19910-52-2
Created by admin on Mon Mar 31 23:02:15 GMT 2025 , Edited by admin on Mon Mar 31 23:02:15 GMT 2025
PRIMARY
PUBCHEM
13782050
Created by admin on Mon Mar 31 23:02:15 GMT 2025 , Edited by admin on Mon Mar 31 23:02:15 GMT 2025
PRIMARY